(1R,3S)-N-(9H-fluoren-2-yl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide

• ChemBase ID: 749669
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: C12([C@H](C[C@H]1O)O)CCN(C(=O)Nc1cc3c(c4c(C3)cccc4)cc1)CC2
• Canonical SMILES: O=C(N1CCC2(CC1)[C@H](O)C[C@@H]2O)Nc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C22H24N2O3/c25-19-13-20(26)22(19)7-9-24(10-8-22)21(27)23-16-5-6-18-15(12-16)11-14-3-1-2-4-17(14)18/h1-6,12,19-20,25-26H,7-11,13H2,(H,23,27)/t19-,20+
• InChIKey: XKOFQHCVPKVIRJ-BGYRXZFFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3S)-N-(9H-fluoren-2-yl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
• IUPAC Traditional name: (1R,3S)-N-(9H-fluoren-2-yl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
• Synonyms: (1R*,3S*)-N-9H-fluoren-2-yl-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.32184
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.9743953
• LogD (pH = 7.4): 1.9743948
• Log P: 1.9743953
• Molar Refractivity: 105.1584 cm^3
• Polarizability: 40.991497 Å^3
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.14
• LOG S: -4.79
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 1